# spinchem-lab
A set of Matlab tools for performing spin chemistry simulations.
毕业设计&课设-一组用于执行自旋化学模拟的Matlab工具。.zip
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2024-01-06
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毕业设计&课设-一组用于执行自旋化学模拟的Matlab工具。.zip （75个子文件） 
spinchem-lab-main examples 
per_ndi_dynamics_trunc_randfields.asv 6KB per_ndi_dynamics_trunc_randfields.m 6KB fadtrp.m 3KB per_ndi_dynamics_full.m 4KB per_ndi_dynamics_trunc.m 4KB per_ndi_dynamics_full_randfields.m 6KB functions rotationaldiffusion psiMatrix.m 152B rotateQuaternionByOmegaSecondOrder.m 229B evolveQuaternionMidpoint.m 363B rotateQuaternion.m 230B rotateAxisAngle.m 212B evolveQuaternionFreeTraj.m 286B rotateQuaternionByOmega.m 357B quaternionFromAxisAngle.m 121B derivativeQuaternion.m 170B quantummethods runSUNDynamics.m 2KB tripProj.m 259B electronHamiltonianQMSp.m 3KB constructTwoSpinCoupling.m 2KB spinOperatorX.m 668B singProj.m 259B runQMSpinDynamics.m 7KB createSymmetryBlocks.m 559B runQMSpinDynamics.asv 1KB spinOperatorY.m 686B generateSubspaceTotalWeights.asv 577B tripProjMinus.m 93B electronHamiltonian.m 815B generateCoupledSpinDecomp.m 1KB createCoherentStateProduct.m 1KB electronHamiltonianQMGen.m 1KB tripProjPlus.m 90B sumSpinOpsY.m 384B runRadpicalPairDynamics.m 67B electronHamiltonianQM.m 3KB calculateRank2SphericalTensorComponents.m 743B spinOperatorZ.m 395B runFullTraceDynamics.m 1KB getMultiIndexFromIndex.m 447B createSUNCoherentState.m 387B sumSpinOpsX.m 384B generateKrylovSubspace.m 2KB runSUNDynamicsTDFluct.m 2KB convertToLiouvilleVector.m 246B sumSpinOpsZ.m 384B getIndexFromMultiIndex.m 282B generateSubspaceTotalWeights.m 736B randomfields runOBTrajectory.asv 400B generateOverdampedOscillatorTrajectory.m 604B runOBTrajectory.m 1KB calculateCorrAB.m 236B calculateAverageFluctuations.m 695B integrateOverdampedOscillators.m 786B utilities shadedErrorBar.m 7KB convertFlatToFullTensor.m 248B integrators runDynamicsAdaptiveSIA.m 3KB runDynamicsSIAAdaptiveDensityOperator.m 2KB propagateSIA.m 497B propagateCayley.m 142B runDynamicsTDSIA.m 1KB calculateStateEvolutionFluct.m 1KB runDynamicsSIADensityOperator.m 3KB runDynamicsSIA.m 2KB propagateExpM.m 95B README.md 80B scripts deltaB_NDI_PER.m 1KB
tol-exp-qm.png 88KB metfh-exp-qm.png 87KB per-ndi-13nuc-invkSkT2.mat 233KB metfh-exp-qm.fig 159KB radical_pair_test_symmetry.m 2KB per-ndi-13nuc-invkSkT.mat 668KB tol-exp-qm.fig 159KB per-ndi-13nuc.mat 669KB radical_pair_test.m 2KB资源评论
